3,4-diamino-1-methylpyrrole-2,5-dione

C5H7N3O2 — CID 22949784

IUPAC3,4-diamino-1-methylpyrrole-2,5-dione
SMILESCN1C(=O)C(N)=C(N)C1=O
InChIInChI=1S/C5H7N3O2/c1-8-4(9)2(6)3(7)5(8)10/h6-7H2,1H3
InChIKeyKPXIEAIGJDLYBY-UHFFFAOYSA-N
MW141.13 g/mol
LogP-1.89
Rot. Bonds

About 3,4-diamino-1-methylpyrrole-2,5-dione

3,4-diamino-1-methylpyrrole-2,5-dione (PubChem CID 22949784) has the molecular formula C5H7N3O2 and a molecular weight of 141.13 g/mol. Its IUPAC name is 3,4-diamino-1-methylpyrrole-2,5-dione.

Molecular Properties

Compound Name3,4-diamino-1-methylpyrrole-2,5-dione
PubChem CID22949784
Molecular FormulaC5H7N3O2
Molecular Weight141.13 g/mol
Exact Mass141.05
IUPAC Name3,4-diamino-1-methylpyrrole-2,5-dione
SMILESCN1C(=O)C(N)=C(N)C1=O
InChIInChI=1S/C5H7N3O2/c1-8-4(9)2(6)3(7)5(8)10/h6-7H2,1H3
InChIKeyKPXIEAIGJDLYBY-UHFFFAOYSA-N
XLogP-1.89
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 5-1.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,4-diamino-1-methylpyrrole-2,5-dione?
The IUPAC name of 3,4-diamino-1-methylpyrrole-2,5-dione (CID 22949784) is 3,4-diamino-1-methylpyrrole-2,5-dione.
What is the SMILES notation for 3,4-diamino-1-methylpyrrole-2,5-dione?
The canonical SMILES for 3,4-diamino-1-methylpyrrole-2,5-dione is CN1C(=O)C(N)=C(N)C1=O.
What is the InChIKey of 3,4-diamino-1-methylpyrrole-2,5-dione?
The InChIKey is KPXIEAIGJDLYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2/c1-8-4(9)2(6)3(7)5(8)10/h6-7H2,1H3.
What are the key properties of 3,4-diamino-1-methylpyrrole-2,5-dione?
3,4-diamino-1-methylpyrrole-2,5-dione has a molecular weight of 141.13 g/mol, XLogP of -1.89, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diamino-1-methylpyrrole-2,5-dione is sourced from PubChem (CID 22949784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).